benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate

C20H24N2O5 — CID 15514013

IUPACbenzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H24N2O5/c1-14(21-20(26)27-13-15-8-4-2-5-9-15)19(25)22-17(12-23)18(24)16-10-6-3-7-11-16/h2-11,14,17-18,23-24H,12-13H2,1H3,(H,21,26)(H,22,25)/t14-,17-,18-/m0/s1
InChIKeyFCTRGQGGUFSHPP-WBAXXEDZSA-N
MW372.42 g/mol
LogP1.51
Rot. Bonds8

About benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 15514013) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID15514013
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namebenzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H24N2O5/c1-14(21-20(26)27-13-15-8-4-2-5-9-15)19(25)22-17(12-23)18(24)16-10-6-3-7-11-16/h2-11,14,17-18,23-24H,12-13H2,1H3,(H,21,26)(H,22,25)/t14-,17-,18-/m0/s1
InChIKeyFCTRGQGGUFSHPP-WBAXXEDZSA-N
XLogP1.51
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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benzyl N-[(2S)-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate (CID 15514013) is benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)[C@@H](O)c1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is FCTRGQGGUFSHPP-WBAXXEDZSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-14(21-20(26)27-13-15-8-4-2-5-9-15)19(25)22-17(12-23)18(24)16-10-6-3-7-11-16/h2-11,14,17-18,23-24H,12-13H2,1H3,(H,21,26)(H,22,25)/t14-,17-,18-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 372.42 g/mol, XLogP of 1.51, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 15514013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).